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2-Acetyl-3-(4'-nitrophenyl)isoxazol-5(2H)-one
SpectraBase Compound ID 23OvC6IjMal
InChI InChI=1S/C11H8N2O5/c1-7(14)12-10(6-11(15)18-12)8-2-4-9(5-3-8)13(16)17/h2-6H,1H3
InChIKey YZJYXAPIKRNHJI-UHFFFAOYSA-N
Mol Weight 248.19 g/mol
Molecular Formula C11H8N2O5
Exact Mass 248.043321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGzgWjQnf8u
Name 2-Acetyl-3-(4'-nitrophenyl)isoxazol-5(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O5
InChI InChI=1S/C11H8N2O5/c1-7(14)12-10(6-11(15)18-12)8-2-4-9(5-3-8)13(16)17/h2-6H,1H3
InChIKey YZJYXAPIKRNHJI-UHFFFAOYSA-N
Molecular Weight 248.194 g/mol
SMILES C=1(N(OC(C1)=O)C(=O)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-0006-9110000000-50b3b90228c8a0f49fbf
Source of Spectrum B-52-1032-0
Synonyms 2-Acetyl-3-(4-nitrophenyl)-5(2H)-isoxazolone
Wiley ID 746887